1-benzyl-3-methylpiperidine

C13H19N — CID 2794856

IUPAC1-benzyl-3-methylpiperidine
SMILESCC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C13H19N/c1-12-6-5-9-14(10-12)11-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3
InChIKeyVUEWBPBFUKIDKK-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.92
Rot. Bonds2

About 1-benzyl-3-methylpiperidine

1-benzyl-3-methylpiperidine (PubChem CID 2794856) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-benzyl-3-methylpiperidine.

Molecular Properties

Compound Name1-benzyl-3-methylpiperidine
PubChem CID2794856
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1-benzyl-3-methylpiperidine
SMILESCC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C13H19N/c1-12-6-5-9-14(10-12)11-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3
InChIKeyVUEWBPBFUKIDKK-UHFFFAOYSA-N
XLogP2.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-1-benzyl-3-methylpyrrolidine;propane
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(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine
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4-[[(3S)-3-methylpiperidin-1-yl]methyl]aniline
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5,15-dibenzyl-7-methyl-1,19-dioxa-5,15-diazacyclotricosane
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(3S)-1-[(4-tert-butylphenyl)methyl]-3-methylpiperidine
CID 158164357
3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenol
CID 70461714
1-benzyl-4-(3-methylpiperidin-1-yl)piperidine
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1-(4-benzylpiperazin-1-yl)-2-(3-methylpiperidin-1-yl)ethanone
CID 109002007
(3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methylpiperidine?
The IUPAC name of 1-benzyl-3-methylpiperidine (CID 2794856) is 1-benzyl-3-methylpiperidine.
What is the SMILES notation for 1-benzyl-3-methylpiperidine?
The canonical SMILES for 1-benzyl-3-methylpiperidine is CC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-methylpiperidine?
The InChIKey is VUEWBPBFUKIDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-12-6-5-9-14(10-12)11-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3.
What are the key properties of 1-benzyl-3-methylpiperidine?
1-benzyl-3-methylpiperidine has a molecular weight of 189.30 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methylpiperidine is sourced from PubChem (CID 2794856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).